N-cycloheptyl-4-oxidanylidene-1-propan-2-yl-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide

Systemtic Name: N-cycloheptyl-4-oxidanylidene-1-propan-2-yl-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: N-cycloheptyl-1-isopropyl-4-oxo-5-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide CAS Name: N-cycloheptyl-4-oxo-5-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]-1-propan-2-yl-3-pyridinecarboxamide IUPAC Name: N-cycloheptyl-4-oxo-1-propan-2-yl-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide Traditional Name: N-cycloheptyl-1-isopropyl-4-keto-5-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]nicotinamide Formula: C26H37N4O3S+ MolecularWeight: 485.66198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)C(=O)NC4CCCCCC4

Isomeric SMILES

CC(C)N1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)C(=O)NC4CCCCCC4

InChI

InChI=1S/C26H36N4O3S/c1-19(2)30-17-22(25(32)27-20-8-5-3-4-6-9-20)24(31)23(18-30)26(33)29-13-11-28(12-14-29)16-21-10-7-15-34-21/h7,10,15,17-20H,3-6,8-9,11-14,16H2,1-2H3,(H,27,32)/p+1